1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C13H15BrN2S — CID 103786265

IUPAC1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2ccccc2Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9-7-16-13(17-9)8-15-10(2)11-5-3-4-6-12(11)14/h3-7,10,15H,8H2,1-2H3
InChIKeyNAXORBSUCGPKBJ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 103786265) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID103786265
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2ccccc2Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9-7-16-13(17-9)8-15-10(2)11-5-3-4-6-12(11)14/h3-7,10,15H,8H2,1-2H3
InChIKeyNAXORBSUCGPKBJ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103915820
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81378611
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
1-(2,5-dimethylfuran-3-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113429018
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
1-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978097

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 103786265) is 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2ccccc2Br)s1.
What is the InChIKey of 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is NAXORBSUCGPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-7-16-13(17-9)8-15-10(2)11-5-3-4-6-12(11)14/h3-7,10,15H,8H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103786265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).